Uploads by Ss8810
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 15:37, 18 October 2012 | Boratabenzene 321g opt.mol (file) |  |
1 KB | 2 | |
| 15:36, 18 October 2012 | Boratabenzene 321g opt summary.PNG (file) |  |
12 KB | 2 | |
| 16:46, 17 October 2012 | Benzene nbo charges.PNG (file) |  |
35 KB | 1 | |
| 16:39, 17 October 2012 | Benzene nbo summary.PNG (file) |  |
11 KB | 1 | |
| 15:07, 17 October 2012 | Benzene freq.mol (file) | |
1 KB | 1 | |
| 12:49, 17 October 2012 | Benzene freque summary.PNG (file) |  |
12 KB | 1 | |
| 12:19, 17 October 2012 | Benzene 631g optimisation dspace summary.PNG (file) |  |
13 KB | 1 | |
| 12:15, 17 October 2012 | Benzene 321g optimisation dspace summary.PNG (file) |  |
14 KB | 1 | |
| 16:29, 16 October 2012 | Benzene 631g optimisation summary.PNG (file) |  |
13 KB | 1 | |
| 16:27, 16 October 2012 | BENZENE 631G OPTIMISATION.mol (file) | |
1 KB | 1 | |
| 14:49, 16 October 2012 | Benzene 321g optimisation summary.PNG (file) |  |
13 KB | 1 | |
| 14:45, 16 October 2012 | Benzene 321g optimisation.mol (file) | |
1 KB | 1 | |
| 17:31, 14 October 2012 | SAJNI NH3BH3 FREQ datafile.txt (file) |  |
35 KB | 1 | |
| 17:25, 14 October 2012 | Sajni nh3bh3 freq.mol (file) | |
817 bytes | 1 | |
| 17:19, 14 October 2012 | NH3BH3 OPTIMISTAION datafile.txt (file) | |
80 KB | 1 | |
| 17:15, 14 October 2012 | Nh3bh3 optimistaion.mol (file) | |
820 bytes | 1 | |
| 17:11, 14 October 2012 | NH3BH3 optimisation.PNG (file) |  |
42 KB | 1 | |
| 16:35, 14 October 2012 | NH3 charge display.PNG (file) |  |
34 KB | 1 | |
| 16:30, 14 October 2012 | NH3 popanalysis summary.PNG (file) |  |
12 KB | 1 | |
| 16:26, 14 October 2012 | NH3 MO datafile.txt (file) | |
57 KB | 1 | |
| 16:04, 14 October 2012 | SAJNI NH3 FREQ datafile.txt (file) | |
24 KB | 1 | |
| 15:51, 14 October 2012 | Nh3 optimisation.mol (file) | |
441 bytes | 1 | |
| 15:39, 14 October 2012 | NH3 OPTIMISATION datafile.txt (file) | |
40 KB | 1 | |
| 15:20, 14 October 2012 | Bh3 mol orb.png (file) |  |
125 KB | 1 | |
| 13:23, 14 October 2012 | TlBr3irspectrum.PNG (file) |  |
47 KB | 1 | |
| 13:22, 14 October 2012 | Tfreq6.PNG (file) |  |
18 KB | 1 | |
| 13:22, 14 October 2012 | Tfreq5.PNG (file) |  |
18 KB | 1 | |
| 13:22, 14 October 2012 | Tfreq4.PNG (file) |  |
20 KB | 1 | |
| 13:21, 14 October 2012 | Tfreq3.PNG (file) |  |
19 KB | 1 | |
| 13:21, 14 October 2012 | Tfreq2.PNG (file) |  |
18 KB | 1 | |
| 13:21, 14 October 2012 | Tfreq1.PNG (file) |  |
20 KB | 1 | |
| 13:01, 14 October 2012 | Sajni TlBr3 freq.mol (file) | |
440 bytes | 1 | |
| 12:53, 14 October 2012 | SAJNI TLBR3 FREQ datafile.txt (file) | |
28 KB | 1 | |
| 12:49, 14 October 2012 | TlBr3 freq summary.PNG (file) |  |
12 KB | 1 | |
| 12:29, 14 October 2012 | Infraredspectrum.PNG (file) |  |
46 KB | 1 | |
| 11:15, 14 October 2012 | Freq5.PNG (file) |  |
30 KB | 1 | |
| 11:15, 14 October 2012 | Freq3.PNG (file) |  |
30 KB | 1 | |
| 17:41, 13 October 2012 | BH3 frequency summary.PNG (file) |  |
12 KB | 1 | |
| 17:32, 13 October 2012 | Sajnishah bh3 freq.mol (file) | |
438 bytes | BH3 frequency optimisation molecule | 1 |
| 17:24, 13 October 2012 | SAJNI BH3 FREQ.LOG (file) | |
24 KB | 1 | |
| 14:25, 13 October 2012 | BBr3optimisationsummary.PNG (file) |  |
11 KB | 1 | |
| 12:23, 13 October 2012 | BBr3 OPT GEN B3LYP 6-31G.mol (file) | |
441 bytes | 2 | |
| 11:56, 13 October 2012 | BBr3 OPT GEN.mol (file) | |
442 bytes | Reverted to version as of 21:18, 9 October 2012 | 3 |
| 11:44, 13 October 2012 | TlBr3OptimisationSummary.PNG (file) |  |
12 KB | 1 | |
| 11:36, 13 October 2012 | TIBR2 OPT LANL2DZ D3H.mol (file) | |
443 bytes | 1 | |
| 15:12, 10 October 2012 | TotalEnergyBH3631G.PNG (file) |  |
21 KB | 1 | |
| 13:41, 10 October 2012 | BH3optimistaion 631Gsummary.PNG (file) |  |
12 KB | 1 | |
| 16:08, 9 October 2012 | RMSGradientBH3.PNG (file) |  |
27 KB | 1 | |
| 16:08, 9 October 2012 | TotalEnergyBH3.PNG (file) |  |
21 KB | 1 | |
| 15:53, 9 October 2012 | BH3optimistaionsummary.PNG (file) |  |
12 KB | 1 |
